Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CPS1 | P31327 | 7/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2601632 | 0.79 | BACE1 (0.42) | KMT2ASMN1; SMN2BACE1ALDH1A1 | |
| SCHEMBL13512976 | 0.77 | MAPK1 (0.38) | MAPK1SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL1655307 | 0.77 | MAPK1 (0.38) | KMT2AMAPK1SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL5880790 | 0.76 | KDM1A (0.35) | KMT2ASMN1; SMN2BACE1ALDH1A1APP | |
| SCHEMBL24666354 | 0.75 | KMT2A (0.45) | KMT2ACPS1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL23232232 | 0.72 | KMT2A (0.46) | KMT2ACPS1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL22222457 | 0.71 | ALDH1A1 (0.37) | KMT2AHTR2AHTR2CALDH1A1CYP3A4 | |
| SCHEMBL4482310 | 0.71 | HCAR2 (0.38) | SMN1; SMN2BACE1ALDH1A1 | |
| SCHEMBL5616834 | 0.71 | CA12 (0.46) | MAPK1SMN1; SMN2BACE1CYP3A4 | |
| SCHEMBL24666351 | 0.70 | KMT2A (0.47) | KMT2ACPS1CYP1A1CYP1A2CYP1B1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7253192-B2 | Phenyl derivatives comprising an acetylene group | HOFFMANN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| EP-1765760-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | disclosed |
| US-20060004091-A1 | Phenyl derivatives comprising an acetylene group | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | US | disclosed |
| US-20040116418-A1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB (SE) | 2004-06-17 | — | — | US | disclosed |
| US-20020132794-A1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB | 2002-09-19 | — | — | US | disclosed |
| US-6376492-B1 | GUANIDINE DERIVATIVES | MEDIVIR AB (SE) | 2002-04-23 | — | — | US | disclosed |
| US-5849769-A | N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection | MEDIVIR AB (SE) | 1998-12-15 | — | — | US | disclosed |
| EP-0706514-B1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1998-11-18 | — | — | EP | disclosed |
| EP-0706514-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1996-04-17 | — | — | EP | disclosed |
| WO-1995006034-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1995-03-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060004091-A1 | Phenyl derivatives comprising an acetylene group | PPARD, PPARA, PPARG | KMT2A 2463/4885CPS1 837/4885MAPK1 1445/4885 |
| US-20020132794-A1 | Compounds and methods for inhibition of HIV and related viruses | POLRMT, POLM, POLR1E | KMT2A 2276/4885CPS1 842/4885MAPK1 3678/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.